Sodium ion → 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-

HRID 1542814Notes

Reaction equation

HRID 1542814 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[CH:6]1[N:7]([c:31]2[c:32]([O:41][CH3:42])[cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]2)[C:8]([N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:29][CH3:30])[cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]2)=[N:9][c:10]2[c:11]([F:16])[cH:12][cH:13][cH:14][c:15]21.[Na+:44].[OH-:43]>>[CH2:2]([C:3](=[O:4])[OH:5])[CH:6]1[N:7]([c:31]2[c:32]([O:41][CH3:42])[cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]2)[C:8]([N:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:29][CH3:30])[cH:26][cH:27][cH:28]3)[CH2:21][CH2:22]2)=[N:9][c:10]2[c:11]([F:16])[cH:12][cH:13][cH:14][c:15]21

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 178490804HCID 178490804, compound

Product 1

HCID 99160994-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-

Sources & evidence

ORD record
ord-4cca9d2216254a7a922d493ae0b6c6c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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